UCSF

ZINC37985116

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2009 19 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.89 10.24 -48.76 2 1 1 17 333.274 4
Mid Mid (pH 6-8) 4.89 8.88 -4.41 1 1 0 12 332.266 4

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )